N-prop-2-ynoxy-N-prop-2-ynyldodecanamide

C18H29NO2 — CID 13289990

IUPACN-prop-2-ynoxy-N-prop-2-ynyldodecanamide
SMILESC#CCON(CC#C)C(=O)CCCCCCCCCCC
InChIInChI=1S/C18H29NO2/c1-4-7-8-9-10-11-12-13-14-15-18(20)19(16-5-2)21-17-6-3/h2-3H,4,7-17H2,1H3
InChIKeyIUHXEYDNUIAQAP-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.93
Rot. Bonds13

About N-prop-2-ynoxy-N-prop-2-ynyldodecanamide

N-prop-2-ynoxy-N-prop-2-ynyldodecanamide (PubChem CID 13289990) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-prop-2-ynoxy-N-prop-2-ynyldodecanamide.

Molecular Properties

Compound NameN-prop-2-ynoxy-N-prop-2-ynyldodecanamide
PubChem CID13289990
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-prop-2-ynoxy-N-prop-2-ynyldodecanamide
SMILESC#CCON(CC#C)C(=O)CCCCCCCCCCC
InChIInChI=1S/C18H29NO2/c1-4-7-8-9-10-11-12-13-14-15-18(20)19(16-5-2)21-17-6-3/h2-3H,4,7-17H2,1H3
InChIKeyIUHXEYDNUIAQAP-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 141076390
N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
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CID 175352963
N-acetyl-N-methyltetradecanamide
CID 54508567
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N-bromo-N-hydroxyheptatriacontanamide
CID 87686971
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-chloro-N-hydroxyhentriacontanamide
CID 87683958
N-bromo-N-hydroxytetradecanamide
CID 87684693
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N,N-di(nonyl)octanamide
CID 533141
hexadec-1-yn-4-one
CID 170548739

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynoxy-N-prop-2-ynyldodecanamide?
The IUPAC name of N-prop-2-ynoxy-N-prop-2-ynyldodecanamide (CID 13289990) is N-prop-2-ynoxy-N-prop-2-ynyldodecanamide.
What is the SMILES notation for N-prop-2-ynoxy-N-prop-2-ynyldodecanamide?
The canonical SMILES for N-prop-2-ynoxy-N-prop-2-ynyldodecanamide is C#CCON(CC#C)C(=O)CCCCCCCCCCC.
What is the InChIKey of N-prop-2-ynoxy-N-prop-2-ynyldodecanamide?
The InChIKey is IUHXEYDNUIAQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-7-8-9-10-11-12-13-14-15-18(20)19(16-5-2)21-17-6-3/h2-3H,4,7-17H2,1H3.
What are the key properties of N-prop-2-ynoxy-N-prop-2-ynyldodecanamide?
N-prop-2-ynoxy-N-prop-2-ynyldodecanamide has a molecular weight of 291.43 g/mol, XLogP of 3.93, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynoxy-N-prop-2-ynyldodecanamide is sourced from PubChem (CID 13289990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).